%chk=000093637.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093637

0 1
 Br   3.846400       1.144600     -2.4999999E-03
 N   -1.807000      -1.029700     -1.0000000E-03
 N   0.3483000      -2.785900      7.9999998E-04
 C  -0.3171000      0.8644000      6.0000003E-04
 C  -0.5585000     -0.5254000     -3.0000001E-04
 C   0.5397000      -1.380900     -3.0000001E-04
 C   0.9993000       1.356000      1.4000000E-03
 C    1.848700     -0.8924000      5.0000002E-04
 C   -1.422300       1.726000      6.0000003E-04
 C    2.079100      0.4777000      1.4000000E-03
 C   -2.710000       1.209400     -1.9999999E-04
 C   -2.846500     -0.1640000     -1.0000000E-03
 H    1.173600       2.430600      1.4000000E-03
 H    2.685500      -1.587700      9.9999997E-05
 H   -1.285800       2.805000      1.3000000E-03
 H   -3.575800       1.861000     -1.9999999E-04
 H   -3.828700     -0.6251000     -1.5000000E-03
 H    1.146200      -3.407200     -2.0999999E-03
 H  -0.5901000      -3.163300     -2.4999999E-03


%chk=000093637-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093637

0 1
Br 3.943021 1.159518 0.000661
N -1.799966 -1.069336 -0.000666
N 0.298977 -2.782695 -0.000844
C -0.294543 0.911886 0.000195
C -0.534054 -0.513225 -0.000350
C 0.589460 -1.436095 -0.000469
C 1.045030 1.417383 0.000462
C 1.901821 -0.913522 -0.000126
C -1.453325 1.757998 0.000376
C 2.090743 0.493491 0.000328
C -2.729675 1.188827 0.000045
C -2.859876 -0.236013 -0.000511
H 1.231116 2.494656 0.000844
H 2.765420 -1.585258 -0.000190
H -1.323531 2.846362 0.000820
H -3.628365 1.813725 0.000210
H -3.851081 -0.703842 -0.000884
H 1.024061 -3.493013 -0.001710
H -0.690234 -3.037747 -0.001691


